N-[1-(2-cyanoacetyl)piperidin-4-yl]-3-(3,4-dimethoxyphenyl)propanamide

C19H25N3O4 — CID 108556445

IUPACN-[1-(2-cyanoacetyl)piperidin-4-yl]-3-(3,4-dimethoxyphenyl)propanamide
SMILESCOc1ccc(CCC(=O)NC2CCN(C(=O)CC#N)CC2)cc1OC
InChIInChI=1S/C19H25N3O4/c1-25-16-5-3-14(13-17(16)26-2)4-6-18(23)21-15-8-11-22(12-9-15)19(24)7-10-20/h3,5,13,15H,4,6-9,11-12H2,1-2H3,(H,21,23)
InChIKeyXHOYEAAYCASZGT-UHFFFAOYSA-N
MW359.43 g/mol
LogP1.66
Rot. Bonds7

About N-[1-(2-cyanoacetyl)piperidin-4-yl]-3-(3,4-dimethoxyphenyl)propanamide

N-[1-(2-cyanoacetyl)piperidin-4-yl]-3-(3,4-dimethoxyphenyl)propanamide (PubChem CID 108556445) has the molecular formula C19H25N3O4 and a molecular weight of 359.43 g/mol. Its IUPAC name is N-[1-(2-cyanoacetyl)piperidin-4-yl]-3-(3,4-dimethoxyphenyl)propanamide.

Molecular Properties

Compound NameN-[1-(2-cyanoacetyl)piperidin-4-yl]-3-(3,4-dimethoxyphenyl)propanamide
PubChem CID108556445
Molecular FormulaC19H25N3O4
Molecular Weight359.43 g/mol
Exact Mass359.18
IUPAC NameN-[1-(2-cyanoacetyl)piperidin-4-yl]-3-(3,4-dimethoxyphenyl)propanamide
SMILESCOc1ccc(CCC(=O)NC2CCN(C(=O)CC#N)CC2)cc1OC
InChIInChI=1S/C19H25N3O4/c1-25-16-5-3-14(13-17(16)26-2)4-6-18(23)21-15-8-11-22(12-9-15)19(24)7-10-20/h3,5,13,15H,4,6-9,11-12H2,1-2H3,(H,21,23)
InChIKeyXHOYEAAYCASZGT-UHFFFAOYSA-N
XLogP1.66
TPSA91.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.43
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-(2-cyanoacetyl)piperidin-4-yl]-3-(3,4-dimethoxyphenyl)propanamide?
The IUPAC name of N-[1-(2-cyanoacetyl)piperidin-4-yl]-3-(3,4-dimethoxyphenyl)propanamide (CID 108556445) is N-[1-(2-cyanoacetyl)piperidin-4-yl]-3-(3,4-dimethoxyphenyl)propanamide.
What is the SMILES notation for N-[1-(2-cyanoacetyl)piperidin-4-yl]-3-(3,4-dimethoxyphenyl)propanamide?
The canonical SMILES for N-[1-(2-cyanoacetyl)piperidin-4-yl]-3-(3,4-dimethoxyphenyl)propanamide is COc1ccc(CCC(=O)NC2CCN(C(=O)CC#N)CC2)cc1OC.
What is the InChIKey of N-[1-(2-cyanoacetyl)piperidin-4-yl]-3-(3,4-dimethoxyphenyl)propanamide?
The InChIKey is XHOYEAAYCASZGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O4/c1-25-16-5-3-14(13-17(16)26-2)4-6-18(23)21-15-8-11-22(12-9-15)19(24)7-10-20/h3,5,13,15H,4,6-9,11-12H2,1-2H3,(H,21,23).
What are the key properties of N-[1-(2-cyanoacetyl)piperidin-4-yl]-3-(3,4-dimethoxyphenyl)propanamide?
N-[1-(2-cyanoacetyl)piperidin-4-yl]-3-(3,4-dimethoxyphenyl)propanamide has a molecular weight of 359.43 g/mol, XLogP of 1.66, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-cyanoacetyl)piperidin-4-yl]-3-(3,4-dimethoxyphenyl)propanamide is sourced from PubChem (CID 108556445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).